 
 Screen output (gelly own version)
 Geometry function summary
     term                           number     weight       rms        GooF      function     fn/numb
     ================================================================================================
     BOND bond lengths (angs)       4718       2.000      0.0106       0.543      2782.78       0.590
     ANGL bond angles (degs)        6406       2.000        1.32       0.823      8671.23       1.354
     TORS split-harmonic tors       1049       0.000       23.23       1.484         0.00       0.000
     SINTOR sinusoidal tors         1049       2.000       23.23                  3182.73       3.034
     TRIG.onal planes (angs)         110       2.000      0.0108       0.538        63.61       0.578
     PLAN general plane (angs)       666       5.000      0.0172       0.859      2459.95       3.694
     BCORrelations (angs*2)         4718      20.000       1.561       0.266      6694.45       1.419
     CONT (bad contacts)               0       5.000                                 0.00
     IDEAL(ideal-dist contact)      5156       4.000                             34244.92
     CHIRAL (gelly semiharmon)       584       5.000                                30.86
     SIM similarity restraint for NCS and/or TARGET                               6593.33
     OCCSUM restraint on sum of occupanies                                           0.00       as none defined
     DISTAN utility restraints interatomic distance                                  0.00       as none defined
     UTILANGLE utility angle restraints                                              0.00       as none defined
     UTILTOR utility restraints on torsion angles                                    0.00       as none defined
     Peptide omega torsion angles                           3.28 degs - monitor only
 
 WARNING: Have |delta/sigma| deviations > 5.0 sigma. Number of outliers for each term: 
 WARNING:         1 bond lengths. Worst is     5.7 sigs     1.73 Angs A|187:CB=CG (PRO)
 WARNING:         6 bond angles.  Worst is     6.4 sigs    93.75 degs A|186:N=CA=C (HIS)
 WARNING:         1 planes.       Worst is     5.6 sigs     0.11 Angs A|186:C=A|186:CA=A|186:O=A|187:N=A|187:CA=A|187:CD
 WARNING:         2 idealD contacts. Worst     5.4 sigs     2.76 Angs A|89:CG(GLU)=A|90:CG(PRO) symm: 1555=2675

 Weighted rms      0.0106         1.317  (temporary rms bond and angle for autobuster to pick up!)
 
 Bond length outliers, distances in Angstroms
      Actual       Ideal       Delta       Sigma Delta/Sigma
       1.727       1.506      -0.221       0.039      -5.676    A|187:CB=CG (PRO)
       1.417       1.336      -0.081       0.023      -3.538    A|185:C(THR)=A|186:N(HIS)
       1.655       1.495      -0.160       0.050      -3.196    B|187:CB=CG (PRO)
 
 Bond angle outliers, angles in degrees
      Actual       Ideal       Delta       Sigma Delta/Sigma
      93.747     111.000      17.253       2.700       6.390    A|186:N=CA=C (HIS)
      94.227     111.000      16.773       2.700       6.212    B|218:N=CA=C (GLU)
      94.981     111.000      16.019       2.700       5.933    A|86:N=CA=C (ASP)
     139.636     127.000     -12.636       2.400      -5.265    A|186:C(HIS)=A|187:N(PRO)=A|187:CA(PRO)
      96.871     111.000      14.129       2.700       5.233    B|222:N=CA=C (PHE)
     134.399     121.700     -12.699       2.500      -5.080    A|85:C(ASN)=A|86:N(ASP)=A|86:CA(ASP)
     134.190     121.700     -12.490       2.500      -4.996    B|155:C(TRP)=B|156:N(ASP)=B|156:CA(ASP)
     133.839     121.700     -12.139       2.500      -4.855    B|121:C(GLN)=B|122:N(LYS)=B|122:CA(LYS)
     130.583     117.100     -13.483       2.800      -4.815    A|186:CA(HIS)=A|186:C(HIS)=A|187:N(PRO)
     124.504     112.100     -12.404       2.600      -4.771    A|87:N=CA=C (PRO)
     133.569     121.700     -11.869       2.500      -4.748    B|185:C(THR)=B|186:N(HIS)=B|186:CA(HIS)
     123.625     111.000     -12.625       2.700      -4.676    B|122:N=CA=C (LYS)
     112.562     121.100       8.538       1.900       4.494    A|186:O(HIS)=A|186:C(HIS)=A|187:N(PRO)
     122.660     111.000     -11.660       2.700      -4.318    B|86:N=CA=C (ASP)
     111.111     120.600       9.489       2.200       4.313    A|186:C(HIS)=A|187:N(PRO)=A|187:CD(PRO)
     101.059     112.100      11.041       2.600       4.247    A|216:N=CA=C (PRO)
     101.088     112.100      11.012       2.600       4.235    A|90:N=CA=C (PRO)
     118.200     110.600      -7.600       1.800      -4.222    A|9:N=CA=CB (ARG)
     123.052     110.500     -12.552       3.000      -4.184    B|104:CD1=CG=CD2 (LEU)
      99.780     111.000      11.220       2.700       4.156    B|155:N=CA=C (TRP)
     128.060     117.100     -10.960       2.800      -3.914    B|215:CA(LEU)=B|215:C(LEU)=B|216:N(PRO)
     131.171     121.700      -9.471       2.500      -3.788    B|291:C(PHE)=B|292:N(ARG)=B|292:CA(ARG)
     131.034     121.700      -9.334       2.500      -3.734    A|291:C(PHE)=A|292:N(ARG)=A|292:CA(ARG)
     131.034     121.700      -9.334       2.500      -3.734    B|93:C(LEU)=B|94:N(GLU)=B|94:CA(GLU)
     130.808     121.700      -9.108       2.500      -3.643    B|204:C(ILE)=B|205:N(GLN)=B|205:CA(GLN)
     130.779     121.700      -9.079       2.500      -3.632    A|218:C(GLU)=A|219:N(THR)=A|219:CA(THR)
     120.736     111.000      -9.736       2.700      -3.606    A|147:N=CA=C (LYS)
     112.531     120.100       7.569       2.100       3.604    B|215:CA=C=O (LEU)
     120.691     111.000      -9.691       2.700      -3.589    B|147:N=CA=C (LYS)
     123.353     115.300      -8.053       2.300      -3.501    B|215:CA=CB=CG (LEU)
      98.799     102.600       3.801       1.100       3.456    A|187:N=CA=CB (PRO)
     130.330     121.700      -8.630       2.500      -3.452    A|204:C(ILE)=A|205:N(GLN)=A|205:CA(GLN)
     130.232     121.700      -8.532       2.500      -3.413    B|265:C(LYS)=B|266:N(THR)=B|266:CA(THR)
     126.646     117.100      -9.546       2.800      -3.409    B|186:CA(HIS)=B|186:C(HIS)=B|187:N(PRO)
     116.697     110.600      -6.097       1.800      -3.387    B|89:N=CA=CB (GLU)
     101.935     111.000       9.065       2.700       3.357    B|185:N=CA=C (THR)
     130.049     121.700      -8.349       2.500      -3.340    A|155:C(TRP)=A|156:N(ASP)=A|156:CA(ASP)
     121.404     113.100      -8.304       2.500      -3.322    B|88:N=CA=C (GLY)
     119.810     111.000      -8.810       2.700      -3.263    B|186:N=CA=C (HIS)
     116.889     110.400      -6.489       2.000      -3.245    B|89:CB=CA=C (GLU)
     120.445     113.400      -7.045       2.200      -3.202    A|9:CA=CB=CG (ARG)
     125.978     117.100      -8.878       2.800      -3.171    B|86:CA(ASP)=B|86:C(ASP)=B|87:N(PRO)
     129.608     121.700      -7.908       2.500      -3.163    A|265:C(LYS)=A|266:N(THR)=A|266:CA(THR)
     116.704     110.400      -6.304       2.000      -3.152    B|217:CB=CA=C (GLU)
     104.124     110.400       6.276       2.000       3.138    B|20:N=CA=CB (LEU)
     119.389     111.000      -8.389       2.700      -3.107    B|239:N=CA=C (ASN)
     116.102     110.200      -5.902       1.900      -3.107    B|215:CB=CA=C (LEU)
     129.432     121.700      -7.732       2.500      -3.093    B|214:C(SER)=B|215:N(LEU)=B|215:CA(LEU)
      99.602     103.300       3.698       1.200       3.082    B|187:N=CA=CB (PRO)
     119.256     111.000      -8.256       2.700      -3.058    A|239:N=CA=C (ASN)
     120.071     113.400      -6.671       2.200      -3.032    A|234:CA=CB=CG (LYS)
     116.123     111.000      -5.123       1.700      -3.014    B|104:CB=CG=CD1 (LEU)
 
 Torsion angles in degrees.
      Actual       Ideal       Delta       Sigma Delta/Sigma
       3.347      90.000      86.653      20.000       4.333    B|81:CA=CB=CG=CD1 (PHE)
       8.254      90.000      81.746      20.000       4.087    A|81:CA=CB=CG=CD1 (PHE)
       9.989      90.000      80.011      20.000       4.001    B|53:CA=CB=CG=CD1 (TRP)
    -119.683     -60.000      59.683      15.000       3.979    B|184:CB=CG=CD=NE (ARG)
      10.657      90.000      79.343      20.000       3.967    A|53:CA=CB=CG=CD1 (TRP)
     118.190      60.000     -58.190      15.000      -3.879    B|289:CA=CB=CG=CD2 (LEU)
     121.993     180.000      58.007      15.000       3.867    B|217:N=CA=CB=CG (GLU)
     117.505      60.000     -57.505      15.000      -3.834    A|289:CA=CB=CG=CD2 (LEU)
      13.688      90.000      76.312      20.000       3.816    A|139:CA=CB=CG=CD1 (TYR)
     117.011      60.000     -57.011      15.000      -3.801    A|204:CA=CB=CG1=CD1 (ILE)
      14.207      90.000      75.793      20.000       3.790    B|139:CA=CB=CG=CD1 (TYR)
    -123.746    -180.000     -56.254      15.000      -3.750    B|287:N=CA=CB=SG (CYS)
    -124.902    -180.000     -55.098      15.000      -3.673    A|287:N=CA=CB=SG (CYS)
     125.405     180.000      54.595      15.000       3.640    B|220:CA=CB=CG=SD (MET)
    -114.554     -60.000      54.554      15.000       3.637    A|220:N=CA=CB=CG (MET)
    -126.234    -180.000     -53.766      15.000      -3.584    A|106:CA=CB=CG=CD (LYS)
       6.280      60.000      53.720      15.000       3.581    B|215:N=CA=CB=CG (LEU)
     113.622      60.000     -53.622      15.000      -3.575    B|154:N=CA=CB=CG2 (THR)
    -126.622    -180.000     -53.378      15.000      -3.559    B|289:N=CA=CB=CG (LEU)
     126.818     180.000      53.182      15.000       3.545    B|57:N=CA=CB=CG2 (ILE)
    -126.823    -180.000     -53.177      15.000      -3.545    B|22:CG=CD=CE=NZ (LYS)
    -126.848    -180.000     -53.152      15.000      -3.543    A|289:N=CA=CB=CG (LEU)
     127.006     180.000      52.994      15.000       3.533    B|217:CA=CB=CG=CD (GLU)
     112.983      60.000     -52.983      15.000      -3.532    A|234:CG=CD=CE=NZ (LYS)
    -112.723     -60.000      52.723      15.000       3.515    A|93:CA=CB=CG=CD2 (LEU)
     127.461     180.000      52.539      15.000       3.503    A|111:CA=CB=CG=CD2 (LEU)
     127.762     180.000      52.238      15.000       3.483    B|111:CA=CB=CG=CD2 (LEU)
    -128.098    -180.000     -51.902      15.000      -3.460    B|242:N=CA=CB=CG2 (THR)
     128.150     180.000      51.850      15.000       3.457    B|104:CA=CB=CG=CD2 (LEU)
    -128.625    -180.000     -51.375      15.000      -3.425    A|60:N=CA=CB=CG (MET)
    -158.114     -90.000      68.114      20.000       3.406    A|186:CA=CB=CG=ND1 (HIS)
    -129.224    -180.000     -50.776      15.000      -3.385    B|60:N=CA=CB=CG (MET)
    -110.573     -60.000      50.573      15.000       3.372    A|181:N=CA=CB=CG (GLU)
    -109.946     -60.000      49.946      15.000       3.330    A|206:CB=CG=CD=CE (LYS)
    -109.479     -60.000      49.479      15.000       3.299    B|181:N=CA=CB=CG (GLU)
    -109.452     -60.000      49.452      15.000       3.297    B|206:CB=CG=CD=CE (LYS)
     130.827     180.000      49.173      15.000       3.278    A|122:CA=CB=CG=CD (LYS)
    -108.861     -60.000      48.861      15.000       3.257    A|184:CB=CG=CD=NE (ARG)
    -131.312    -180.000     -48.688      15.000      -3.246    A|275:CA=CB=CG=CD (ARG)
     131.509     180.000      48.491      15.000       3.233    A|16:CG=CD=CE=NZ (LYS)
    -108.267     -60.000      48.267      15.000       3.218    A|223:N=CA=CB=CG (MET)
    -131.852    -180.000     -48.148      15.000      -3.210    B|275:CA=CB=CG=CD (ARG)
    -107.895     -60.000      47.895      15.000       3.193    A|230:N=CA=CB=CG (LYS)
    -132.618    -180.000     -47.382      15.000      -3.159    A|182:CA=CB=CG=CD2 (LEU)
     107.036      60.000     -47.036      15.000      -3.136    B|260:CA=CB=CG=SD (MET)
    -133.005    -180.000     -46.995      15.000      -3.133    B|182:CA=CB=CG=CD2 (LEU)
    -133.088    -180.000     -46.912      15.000      -3.127    A|12:N=CA=CB=CG (LEU)
    -133.221    -180.000     -46.779      15.000      -3.119    A|186:N=CA=CB=CG (HIS)
    -133.486    -180.000     -46.514      15.000      -3.101    A|37:CB=CG=CD=NE (ARG)
    -106.420     -60.000      46.420      15.000       3.095    B|12:N=CA=CB=CG (LEU)
    -106.042     -60.000      46.042      15.000       3.069    B|31:N=CA=CB=CG (LEU)
    -106.006     -60.000      46.006      15.000       3.067    B|41:CA=CB=CG=CD2 (LEU)
     134.002     180.000      45.998      15.000       3.067    A|94:CA=CB=CG=CD (GLU)
    -105.961     -60.000      45.961      15.000       3.064    A|209:N=CA=CB=CG (GLU)
    -134.200    -180.000     -45.800      15.000      -3.053    B|37:CB=CG=CD=NE (ARG)
    -105.700     -60.000      45.700      15.000       3.047    B|181:CA=CB=CG=CD (GLU)
    -134.527    -180.000     -45.473      15.000      -3.032    B|260:N=CA=CB=CG (MET)
    -105.161     -60.000      45.161      15.000       3.011    A|41:CA=CB=CG=CD2 (LEU)
    -105.084     -60.000      45.084      15.000       3.006    B|209:N=CA=CB=CG (GLU)
 
 PLAN plane outliers, r.m.s. devia from the plane in Angs (ideal zero)
      Actual       Sigma   Act/Sigma
       0.112       0.020       5.599    A|186:C=A|186:CA=A|186:O=A|187:N=A|187:CA=A|187:CD
       0.062       0.020       3.118    A|185:C=A|185:CA=A|185:O=A|186:N=A|186:CA
 
 Ideal-contact distance outliers, distances in Angstroms
      Actual    ContactD       Delta       Sigma Delta/Sigma
       2.759       3.840       1.081       0.200       5.406    A|89:CG(GLU)=A|90:CG(PRO) symm: 1555=2675
       2.872       3.880       1.008       0.200       5.039    B|243:CG1(VAL)=B|247:CD1(LEU)
       2.863       3.860       0.997       0.200       4.984    A|87:CB(PRO)=A|247:CD2(LEU) symm: 1555=2675
       2.300       3.270       0.970       0.200       4.850    A|185:C(THR)=A|186:O(HIS)
       2.543       3.440       0.897       0.200       4.484    B|222:O(PHE)=B|223:CB(MET)
       2.635       3.520       0.885       0.200       4.427    B|184:CG=NH1 (ARG)
       2.986       3.870       0.884       0.200       4.418    B|215:CB(LEU)=B|216:CA(PRO)
       2.182       3.040       0.858       0.200       4.289    A|216:O(PRO)=A|217:O(GLU)
       2.349       3.190       0.841       0.200       4.206    A|186:O(HIS)=A|187:CD(PRO)
       2.441       3.270       0.829       0.200       4.147    A|90:O(PRO)=A|91:C(SER)
       2.632       3.460       0.828       0.200       4.142    B|185:O=CG2 (THR)
       2.645       3.470       0.825       0.200       4.123    B|218:O(GLU)=B|219:CB(THR)
       2.249       3.040       0.791       0.200       3.955    B|219:O(THR)=B|222:O(PHE)
       3.077       3.860       0.783       0.200       3.913    A|215:CD2(LEU)=A|220:CG(MET)
       2.670       3.440       0.770       0.200       3.848    A|93:O(LEU)=A|94:CB(GLU)
       2.909       3.670       0.761       0.200       3.805    B|215:CB(LEU)=B|216:C(PRO)
       2.832       3.590       0.758       0.200       3.790    B|111:CA=CD1 (LEU)
       2.838       3.590       0.752       0.200       3.760    A|111:CA=CD1 (LEU)
       3.095       3.840       0.745       0.200       3.724    B|89:CG(GLU)=B|90:CD(PRO)
       2.832       3.570       0.738       0.200       3.688    B|18:CA(VAL)=B|19:CD(PRO)
       2.539       3.270       0.731       0.200       3.653    A|216:C(PRO)=A|217:O(GLU)
       2.813       3.540       0.727       0.200       3.635    B|122:CB=CE (LYS)
       2.321       3.040       0.719       0.200       3.597    B|185:O(THR)=B|186:O(HIS)
       3.163       3.880       0.717       0.200       3.586    A|58:CD2(LEU)=A|104:CD2(LEU)
       2.889       3.590       0.701       0.200       3.504    A|247:CA=CD2 (LEU)
       3.123       3.820       0.697       0.200       3.485    A|215:CD2(LEU)=A|220:SD(MET)
       3.180       3.860       0.680       0.200       3.402    A|201:CG(LYS)=A|220:CE(MET)
       2.249       2.920       0.671       0.200       3.356    A|186:N=O (HIS)
       2.919       3.590       0.671       0.200       3.354    B|31:CA=CD2 (LEU)
       2.728       3.390       0.662       0.200       3.309    B|57:C=CG2 (ILE)
       2.932       3.590       0.658       0.200       3.288    A|289:CA=CD1 (LEU)
       2.619       3.270       0.651       0.200       3.255    A|217:O(GLU)=A|218:C(GLU)
       2.940       3.590       0.650       0.200       3.252    B|289:CA=CD1 (LEU)
       3.221       3.870       0.649       0.200       3.243    B|186:CB(HIS)=B|187:CA(PRO)
       3.240       3.880       0.640       0.200       3.199    A|208:CD1(LEU)=A|215:CD2(LEU)
       2.762       3.390       0.628       0.200       3.139    B|204:C=CG2 (ILE)
       2.766       3.390       0.624       0.200       3.118    A|204:C=CG2 (ILE)
       3.047       3.670       0.623       0.200       3.113    A|38:CB(PRO)=B|9:CZ(ARG) symm: 1555=1556
       3.245       3.860       0.615       0.200       3.074    B|12:CD1(LEU)=B|19:CB(PRO)
       2.657       3.270       0.613       0.200       3.066    A|91:O(SER)=A|92:C(GLY)
       2.658       3.270       0.612       0.200       3.058    B|9:O(ARG)=B|10:C(PRO)
       2.430       3.040       0.610       0.200       3.052    A|86:O(ASP)=A|89:O(GLU)
       2.986       3.590       0.604       0.200       3.021    B|12:CA=CD2 (LEU)
       2.669       3.270       0.601       0.200       3.003    A|86:O(ASP)=A|87:C(PRO)
 

  Have      0 atom centres with inverted chirality and 
            8 atom centres with approaching-planar chirality
  
 LSSR restraints for NCS
    Atoms that are pulled the hardest by LSSR NCS restraints: 
    (Consider whether side chain or residue NCS partners could be close yet 
     distinct. If so you may want to prune this out from the relevant NCS set.) 
       LSSR_grad_norm/           atom
    avg(LSSR_grad_norm)
             5.45                B|178:O (GLU)        
             4.94                A|7:O (THR)          
             4.91                B|207:CG1 (ILE)      
             4.78                B|207:CD1 (ILE)      
             4.77                A|183:CB (SER)       
             4.74                B|207:O (ILE)        
             4.46                A|156:N (ASP)        
             4.41                B|156:N (ASP)        
             4.39                A|183:OG (SER)       
             4.31                B|178:CB (GLU)       
             3.98                A|183:CA (SER)       
             3.67                B|178:C (GLU)        
             3.62                B|207:C (ILE)        
             3.46                A|7:C (THR)          
             3.18                B|207:CA (ILE)       
             3.01                B|207:CB (ILE)       
 LSSR restraints for NCS
    Atoms with the highest function contribution.
    (Shows atoms with most different local environment between related copies)
       %_max_LSSR_NCS_funct          atom
            97.76                B|35:CG (GLN)        
            97.76                A|35:CG (GLN)        
            94.73                A|154:CG2 (THR)      
            94.73                B|154:CG2 (THR)      
            89.98                A|35:OE1 (GLN)       
            89.98                B|35:OE1 (GLN)       
            89.02                B|234:CG (LYS)       
            89.02                A|234:CG (LYS)       
            88.94                B|177:NE2 (GLN)      
            88.94                A|177:NE2 (GLN)      
            87.99                B|104:CD1 (LEU)      
            87.99                A|104:CD1 (LEU)      
            87.31                B|177:OE1 (GLN)      
            87.31                A|177:OE1 (GLN)      
            86.38                A|104:CD2 (LEU)      
            86.38                B|104:CD2 (LEU)      
            85.94                A|260:CG (MET)       
            85.94                B|260:CG (MET)       
            85.76                B|22:CG (LYS)        
            85.76                A|22:CG (LYS)        
            85.61                A|154:OG1 (THR)      
            85.61                B|154:OG1 (THR)      
            84.42                B|234:CD (LYS)       
            84.42                A|234:CD (LYS)       
            83.58                B|26:OE2 (GLU)       
            83.58                A|26:OE2 (GLU)       
            78.46                B|260:CE (MET)       
            78.46                A|260:CE (MET)       
            77.89                B|26:OE1 (GLU)       
            77.89                A|26:OE1 (GLU)       
            71.77                B|181:OE1 (GLU)      
            71.77                A|181:OE1 (GLU)      
            71.01                B|35:NE2 (GLN)       
            71.01                A|35:NE2 (GLN)       
            70.86                B|178:OE2 (GLU)      
            70.49                A|22:CE (LYS)        
            70.49                B|22:CE (LYS)        
            67.41                B|178:CD (GLU)       
            62.38                B|178:OE1 (GLU)      
            60.81                B|234:CE (LYS)       
            60.81                A|234:CE (LYS)       
  
 Atoms that make the largest contribution to overall function value. 
     Report the (function contribution)/(median contribution). Median=         9.910
        16.8     A|186:O(HIS)        
        15.9     A|186:C(HIS)        
        13.2     A|187:CD(PRO)       
        13.1     A|217:O(GLU)        
        12.4     A|187:N(PRO)        
        10.8     A|89:CG(GLU)        
        10.6     A|186:CA(HIS)       
        10.1     B|222:O(PHE)        
        10.1     B|215:CB(LEU)       
         9.9     A|90:CG(PRO)        
         9.6     A|185:C(THR)        
         9.5     A|187:CA(PRO)       
         9.4     A|86:N(ASP)         
         9.4     A|90:O(PRO)         
         9.2     A|215:CD2(LEU)      
         8.7     A|247:CD2(LEU)      
         8.5     A|186:N(HIS)        
         8.3     B|215:CA(LEU)       
         8.1     A|86:CA(ASP)        
         7.4     B|155:C(TRP)        
         7.3     A|87:CB(PRO)        
         7.3     B|185:O(THR)        
         7.2     B|187:CA(PRO)       
         7.1     A|90:C(PRO)         
         7.0     A|91:C(SER)         
         6.9     A|216:O(PRO)        
         6.7     B|243:CG1(VAL)      
         6.7     B|86:CA(ASP)        
         6.6     B|186:CA(HIS)       
         6.6     B|90:CD(PRO)        
         6.5     B|216:CA(PRO)       
         6.5     A|85:C(ASN)         
         6.3     A|91:O(SER)         
         6.3     B|218:O(GLU)        
         6.2     A|109:CA(LEU)       
         6.2     B|218:N(GLU)        
         6.2     A|87:C(PRO)         
         6.2     A|93:O(LEU)         
         6.1     B|184:CG(ARG)       
         6.1     B|186:C(HIS)        
         6.0     B|223:CB(MET)       
         6.0     A|9:CA(ARG)         
         6.0     A|216:C(PRO)        
         6.0     A|86:O(ASP)         
         5.9     A|187:C(PRO)        
         5.9     A|185:O(THR)        
         5.8     B|122:N(LYS)        
         5.5     A|58:CD2(LEU)       
         5.5     B|10:C(PRO)         
         5.4     B|219:O(THR)        
         5.4     A|10:C(PRO)         
         5.3     B|247:CD1(LEU)      
         5.3     B|9:CA(ARG)         
         5.2     B|86:C(ASP)         
         5.2     B|219:CB(THR)       
         5.2     B|222:C(PHE)        
         5.2     B|187:N(PRO)        
         5.2     B|104:CD1(LEU)      
         5.2     A|218:C(GLU)        
         5.1     A|187:CB(PRO)       
         5.1     A|94:CB(GLU)        
         5.1     B|204:C(ILE)        
         5.1     A|90:CD(PRO)        
         5.0     A|188:N(VAL)        
         5.0     A|10:CA(PRO)        
         5.0     B|218:CA(GLU)       
         5.0     A|87:CA(PRO)        
         5.0     A|204:C(ILE)        
         5.0     B|86:N(ASP)         
         5.0     B|122:CB(LYS)       
         5.0     B|186:O(HIS)        
         5.0     B|122:CA(LYS)       
         4.8     B|215:C(LEU)        
         4.8     B|10:CA(PRO)        
         4.8     B|90:C(PRO)         
         4.8     B|109:CA(LEU)       
         4.7     B|218:C(GLU)        
         4.7     A|219:N(THR)        
         4.7     B|184:NH1(ARG)      
         4.6     B|85:CA(ASN)        
         4.6     B|9:O(ARG)          
         4.6     B|185:CG2(THR)      
         4.5     B|57:CG2(ILE)       
         4.5     A|247:CA(LEU)       
         4.5     B|89:CA(GLU)        
         4.5     B|12:CA(LEU)        
         4.5     B|155:CA(TRP)       
         4.4     A|84:C(VAL)         
         4.4     A|220:SD(MET)       
         4.4     B|185:C(THR)        
         4.3     A|11:CA(PRO)        
         4.3     B|18:CA(VAL)        
         4.3     A|11:C(PRO)         
         4.3     B|101:CA(PRO)       
         4.3     A|90:CA(PRO)        
         4.2     A|89:O(GLU)         
         4.2     B|87:CA(PRO)        
         4.2     B|222:CA(PHE)       
         4.2     A|104:CD2(LEU)      
         4.2     A|215:CA(LEU)       
 
 (maximum number of reports in this screen output set to     100)
 (delta/sigma cutoff in this screen output is set to     3.000)
